SCHEMBL12377819

SCHEMBL12377819

Cc1cccc(-c2nnc(C)n2C)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
RAB9A P51151 3/20 0.46
TSHR P16473 2/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
ACHE P22303 1/20 0.42
MAPK14 Q16539 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 2/20 0.42
HSD11B1 P28845 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8763630 0.83 HSD11B1 (0.50) LMNAALDH1A1L3MBTL1TSHRHPGD
SCHEMBL2295142 0.83 LMNA (0.39) LMNAALDH1A1HSD11B1
SCHEMBL889637 0.81 HSD11B1 (0.56) TSHRKMT2AHSD11B1
SCHEMBL14077010 0.79 ALOX12 (0.57) LMNACYP1A2HSD17B10
SCHEMBL14077013 0.79 KDM4E (0.55) ALDH1A1RAB9ANPC1HPGDCYP1A2
SCHEMBL15026023 0.78 HSD11B1 (0.36) ALDH1A1RAB9ANPC1SMN1; SMN2HSD11B1
SCHEMBL14804396 0.78 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL22728144 0.77 ALDH1A1 (0.40) LMNAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14077046 0.76 HSD11B1 (0.58) LMNAALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL14077061 0.76 GRM5 (0.39) LMNAALDH1A1TSHRNPC1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KCNJ1, KCNJ11, ADRA1D LMNA 2244/4885ALDH1A1 407/4885L3MBTL1 2932/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.